SCHEMBL1661942

SCHEMBL1661942

C[C@H](CC(=O)O)NCCc1ccc(-c2nc3ccc(C4(c5ccccc5)C=C4)nc3s2)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.63
S1PR3 Q99500 6/20 0.63
S1PR5 Q9H228 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1664100 1.00 S1PR1 (0.63) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL1662129 0.99 S1PR1 (0.62) S1PR1S1PR3S1PR5
SCHEMBL1662143 0.92 S1PR1 (0.62) S1PR1S1PR3S1PR5
SCHEMBL1662101 0.92 S1PR1 (0.62) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL1661370 0.91 S1PR1 (0.61) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL1661926 0.91 S1PR1 (0.61) S1PR1S1PR3S1PR5
SCHEMBL1662077 0.90 S1PR1 (0.78) S1PR1S1PR3S1PR5
SCHEMBL1661940 0.90 S1PR1 (0.78) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL1662128 0.89 S1PR1 (0.77) S1PR1S1PR3S1PR5
SCHEMBL1662018 0.88 S1PR1 (0.80) S1PR1S1PR3S1PR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011524906-A 2011-09-08 JP claimed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP claimed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO claimed